W350516

3-Methylbutyl 2-methylbutanoate

natural, 70% 3-methylbutyl 2-methylbutanoate basis

• Synonym(s): Isoamyl 2-methylbutyrate
• Empirical Formula (Hill Notation): C₁₀H₂₀O₂
• CAS Number: 27625-35-0
• Molecular Weight: 172.26
• FEMA Number: 3505
• EC Number: 248-581-1
• Council of Europe no.: 10721
• MDL number: MFCD00048645
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901745
• Flavis number: 9.530

Properties

• grade: Halal; Kosher; natural
• assay: 70% 3-methylbutyl 2-methylbutanoate basis
• impurities: 30% 3-methylbutyl 3-methylbutanoate
• refractive index: n20/D 1.413 (lit.)
• bp: 41 °C/1.5 mmHg (lit.)
• density: 0.857 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• organoleptic: apple; sweet
• SMILES string: CCC(C)C(=O)OCCC(C)C
• InChI: 1S/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3
• InChI key: VGIRHYHLQKDEPP-UHFFFAOYSA-N

Safety Information

• pictograms: GHS09
• hcodes: H411
• pcodes: P273 - P391 - P501
• Hazard Classifications: Aquatic Chronic 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 2
• flash_point_f: 143.6 °F - closed cup
• flash_point_c: 62 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter